K284-4550 Screening compound: 2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

K284-4550 Screening compound: 2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
K284-4550 Screening compound: 2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4550
2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K284-4550

Molecular Formula

C29H34N4O6S (C29 H34 N4 O6 S)

Compound Name

2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N3-bis[(oxolan-2-yl)methyl]-34-dihydroquinazoline-7-carboxamide

SMILES

CCOc(cc1)ccc1NC(CSC(N1CC2OCCC2)=Nc(cc(cc2)C(NCC3OCCC3)=O)c2C1=O)=O

InChI

InChI=1S/C29H34N4O6S/c1-2-37-21-10-8-20(9-11-21)31-26(34)18-40-29-32-25-15-19(27(35)30-16-22-5-3-13-38-22)7-12-24(25)28(36)33(29)17-23-6-4-14-39-23/h7-12,15,22-23H,2-6,13-14,16-18H2,1H3,(H,30,35)(H,31,34)

InChI Key

LODAASHQGHHTIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.346

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-3.10

Polar Surface Area

97.766

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.80

K284-4550 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

GABA Library (7115 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K284-4550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4550?
Check Price and Availability of K284-4550, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K284-4550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4550
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K284-4550 available by request